MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03540607

Type: Neutral
Formula: C₂₀H₁₃FO₂

SMILES:

Fc1c2c(cc-3c(C4=CC(O)C(O)c5c4c-3ccc5)c2)ccc1

InChI:

InChI=1/C20H13FO2/c21-17-6-1-3-10-7-14-11-4-2-5-12-19(11)16(9-18(22)20(12)23)15(14)8-13(10)17/h1-9,18,20,22-23H/t18-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.625 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -6.31281	SlogP: 3.71169	Reactive groups: 0

Topological Properties
Globularity: 0.0360014	Sterimol/B1: 3.48647	Sterimol/B2: 3.54402	Sterimol/B3: 4.8385
Sterimol/B4: 5.04916	Sterimol/L: 14.1808

Surface and Volume Properties
Accessible surface: 500.337	Positive charged surface: 263.985	Negative charged surface: 214.145	Volume: 280.25
Hydrophobic surface: 398.08	Hydrophilic surface: 102.257

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.